2-(azepan-1-yl)-5-chloranyl-benzoic acid

Systemtic Name: 2-(azepan-1-yl)-5-chloranyl-benzoic acid Openeye Name: 2-(azepan-1-yl)-5-chloro-benzoic acid CAS Name: 2-(1-azepanyl)-5-chlorobenzoic acid IUPAC Name: 2-(azepan-1-yl)-5-chlorobenzoic acid Traditional Name: 2-(azepan-1-yl)-5-chloro-benzoic acid Formula: C13H16ClNO2 MolecularWeight: 253.72464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H16ClNO2/c14-10-5-6-12(11(9-10)13(16)17)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,16,17)